2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide

C19H22ClNO3 — CID 119046862

IUPAC2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc(CC(CO)CNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-14-6-8-15(9-7-14)10-16(12-22)11-21-19(23)13-24-18-5-3-2-4-17(18)20/h2-9,16,22H,10-13H2,1H3,(H,21,23)
InChIKeyPGFUGGVUYZBGNX-UHFFFAOYSA-N
MW347.84 g/mol
LogP2.99
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide

2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide (PubChem CID 119046862) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
PubChem CID119046862
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc(CC(CO)CNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-14-6-8-15(9-7-14)10-16(12-22)11-21-19(23)13-24-18-5-3-2-4-17(18)20/h2-9,16,22H,10-13H2,1H3,(H,21,23)
InChIKeyPGFUGGVUYZBGNX-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
2-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119231915
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
N-[2-(hydroxymethyl)-3-pyridin-3-ylpropyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 166192889
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161769

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide (CID 119046862) is 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide is Cc1ccc(CC(CO)CNC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The InChIKey is PGFUGGVUYZBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-14-6-8-15(9-7-14)10-16(12-22)11-21-19(23)13-24-18-5-3-2-4-17(18)20/h2-9,16,22H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide has a molecular weight of 347.84 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 119046862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).